Information card for entry 2016773

Structure parameters

• Chemical name: poly[[copper(I)-di-μ~2~-pyrazine-κ^4^N:N'] 3,5-dicarboxybenzenesulfonate monohydrate]
• Formula: C16 H15 Cu N4 O8 S
• Calculated formula: C16 H15 Cu N4 O8 S
• Title of publication: A novel three-dimensional coordination polymer constructed from pyrazine and copper(I): poly[[copper(I)-di-μ~2~-pyrazine-κ^4^<i>N</i>:<i>N</i>'] 3,5-dicarboxybenzenesulfonate monohydrate]
• Authors of publication: Guo, Hong-Xu; Weng, Wen; Li, Xi-Zhong; Liang, Min; Zheng, Cai-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m314 - m316
• a: 11.124 ± 0.002 Å
• b: 15.709 ± 0.003 Å
• c: 11.337 ± 0.002 Å
• α: 90°
• β: 106.48 ± 0.03°
• γ: 90°
• Cell volume: 1899.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes